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BDBM281732 US10023528, Example 5::US10023528, Example 6::US10259776, Example 6

SMILES: C[C@H]([C@H](C(=O)Nc1cc(ccc1Cl)C(C)(CC(O)=O)C1CCC1)c1ccc(Cl)cc1)C(F)(F)F

InChI Key: InChIKey=BTOVIWFUGBHYGN-JXIZHYLBSA-N

Data: 4 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 281732   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM281732
PNG
(US10023528, Example 5 | US10023528, Example 6 | US...)
Show SMILES C[C@H]([C@H](C(=O)Nc1cc(ccc1Cl)C(C)(CC(O)=O)C1CCC1)c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H26Cl2F3NO3/c1-14(25(28,29)30)22(15-6-9-18(26)10-7-15)23(34)31-20-12-17(8-11-19(20)27)24(2,13-21(32)33)16-4-3-5-16/h6-12,14,16,22H,3-5,13H2,1-2H3,(H,31,34)(H,32,33)/t14-,22+,24?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.20n/an/a7.525



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To carry out the assay, 29 μl of enzyme solution [0-10 nM soluble guanylate cyclase (prepared according to Hönicka et al, J. Mol. Med. 77, 14-23...


US Patent US10023528 (2018)


BindingDB Entry DOI: 10.7270/Q21N834J
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM281732
PNG
(US10023528, Example 5 | US10023528, Example 6 | US...)
Show SMILES C[C@H]([C@H](C(=O)Nc1cc(ccc1Cl)C(C)(CC(O)=O)C1CCC1)c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H26Cl2F3NO3/c1-14(25(28,29)30)22(15-6-9-18(26)10-7-15)23(34)31-20-12-17(8-11-19(20)27)24(2,13-21(32)33)16-4-3-5-16/h6-12,14,16,22H,3-5,13H2,1-2H3,(H,31,34)(H,32,33)/t14-,22+,24?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 56n/an/an/an/a



Institut de Biologie Structurale



Assay Description
Soluble guanylate cyclase (sGC) converts on stimulation GTP into cGMP and pyrophosphate (PPi). PPi is detected with the aid of the assay described be...


J Med Chem 51: 1115-25 (2008)


BindingDB Entry DOI: 10.7270/Q27083RX
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM281732
PNG
(US10023528, Example 5 | US10023528, Example 6 | US...)
Show SMILES C[C@H]([C@H](C(=O)Nc1cc(ccc1Cl)C(C)(CC(O)=O)C1CCC1)c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H26Cl2F3NO3/c1-14(25(28,29)30)22(15-6-9-18(26)10-7-15)23(34)31-20-12-17(8-11-19(20)27)24(2,13-21(32)33)16-4-3-5-16/h6-12,14,16,22H,3-5,13H2,1-2H3,(H,31,34)(H,32,33)/t14-,22+,24?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.20n/an/an/an/a



Institut de Biologie Structurale



Assay Description
Soluble guanylate cyclase (sGC) converts on stimulation GTP into cGMP and pyrophosphate (PPi). PPi is detected with the aid of the assay described be...


J Med Chem 51: 1115-25 (2008)


BindingDB Entry DOI: 10.7270/Q27083RX
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM281732
PNG
(US10023528, Example 5 | US10023528, Example 6 | US...)
Show SMILES C[C@H]([C@H](C(=O)Nc1cc(ccc1Cl)C(C)(CC(O)=O)C1CCC1)c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H26Cl2F3NO3/c1-14(25(28,29)30)22(15-6-9-18(26)10-7-15)23(34)31-20-12-17(8-11-19(20)27)24(2,13-21(32)33)16-4-3-5-16/h6-12,14,16,22H,3-5,13H2,1-2H3,(H,31,34)(H,32,33)/t14-,22+,24?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 56n/an/a7.525



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To carry out the assay, 29 μl of enzyme solution [0-10 nM soluble guanylate cyclase (prepared according to Hönicka et al, J. Mol. Med. 77, 14-23...


US Patent US10023528 (2018)


BindingDB Entry DOI: 10.7270/Q21N834J
More data for this
Ligand-Target Pair